2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide

C24H24BrN3O2 — CID 22930586

IUPAC2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC(=O)c2cc(C)c(O)c(C)c2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H23N3O2.BrH/c1-16-12-19(13-17(2)23(16)29)22(28)15-27-21-11-7-6-10-20(21)26(24(27)25)14-18-8-4-3-5-9-18;/h3-13,25,29H,14-15H2,1-2H3;1H/b25-24-;
InChIKeyMHPLNTXKOFRTIK-BJFQDICYSA-N
MW466.38 g/mol
LogP4.75
Rot. Bonds5

About 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide (PubChem CID 22930586) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide
PubChem CID22930586
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CC(=O)c2cc(C)c(O)c(C)c2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H23N3O2.BrH/c1-16-12-19(13-17(2)23(16)29)22(28)15-27-21-11-7-6-10-20(21)26(24(27)25)14-18-8-4-3-5-9-18;/h3-13,25,29H,14-15H2,1-2H3;1H/b25-24-;
InChIKeyMHPLNTXKOFRTIK-BJFQDICYSA-N
XLogP4.75
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide (CID 22930586) is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide is Br.[H]/N=c1\n(CC(=O)c2cc(C)c(O)c(C)c2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide?
The InChIKey is MHPLNTXKOFRTIK-BJFQDICYSA-N. The full InChI is InChI=1S/C24H23N3O2.BrH/c1-16-12-19(13-17(2)23(16)29)22(28)15-27-21-11-7-6-10-20(21)26(24(27)25)14-18-8-4-3-5-9-18;/h3-13,25,29H,14-15H2,1-2H3;1H/b25-24-;.
What are the key properties of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide?
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide has a molecular weight of 466.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 22930586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).